1,4-dichloro-3-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]indole-2-carboxylic acid

C20H17Cl2N3O3 — CID 19879143

IUPAC1,4-dichloro-3-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]indole-2-carboxylic acid
SMILESO=C(O)c1c(CCN2CCN(c3ccccc3)C2=O)c2c(Cl)cccc2n1Cl
InChIInChI=1S/C20H17Cl2N3O3/c21-15-7-4-8-16-17(15)14(18(19(26)27)25(16)22)9-10-23-11-12-24(20(23)28)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,26,27)
InChIKeyOZWDZGFZKQBGCW-UHFFFAOYSA-N
MW418.28 g/mol
LogP4.48
Rot. Bonds5

About 1,4-dichloro-3-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]indole-2-carboxylic acid

1,4-dichloro-3-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]indole-2-carboxylic acid (PubChem CID 19879143) has the molecular formula C20H17Cl2N3O3 and a molecular weight of 418.28 g/mol. Its IUPAC name is 1,4-dichloro-3-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name1,4-dichloro-3-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]indole-2-carboxylic acid
PubChem CID19879143
Molecular FormulaC20H17Cl2N3O3
Molecular Weight418.28 g/mol
Exact Mass417.06
IUPAC Name1,4-dichloro-3-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]indole-2-carboxylic acid
SMILESO=C(O)c1c(CCN2CCN(c3ccccc3)C2=O)c2c(Cl)cccc2n1Cl
InChIInChI=1S/C20H17Cl2N3O3/c21-15-7-4-8-16-17(15)14(18(19(26)27)25(16)22)9-10-23-11-12-24(20(23)28)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,26,27)
InChIKeyOZWDZGFZKQBGCW-UHFFFAOYSA-N
XLogP4.48
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-3-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]indole-2-carboxylic acid?
The IUPAC name of 1,4-dichloro-3-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]indole-2-carboxylic acid (CID 19879143) is 1,4-dichloro-3-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]indole-2-carboxylic acid.
What is the SMILES notation for 1,4-dichloro-3-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]indole-2-carboxylic acid?
The canonical SMILES for 1,4-dichloro-3-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]indole-2-carboxylic acid is O=C(O)c1c(CCN2CCN(c3ccccc3)C2=O)c2c(Cl)cccc2n1Cl.
What is the InChIKey of 1,4-dichloro-3-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]indole-2-carboxylic acid?
The InChIKey is OZWDZGFZKQBGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O3/c21-15-7-4-8-16-17(15)14(18(19(26)27)25(16)22)9-10-23-11-12-24(20(23)28)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,26,27).
What are the key properties of 1,4-dichloro-3-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]indole-2-carboxylic acid?
1,4-dichloro-3-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]indole-2-carboxylic acid has a molecular weight of 418.28 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-3-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]indole-2-carboxylic acid is sourced from PubChem (CID 19879143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).